Vitas-M small molecule compound
2-{[(E)-(3,4-diethoxyphenyl)methylidene]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Catalog ID
STK947126
SMILES CCOc1ccc(cc1OCC)/C=N/c1sc2c(c1C#N)CCCC2
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C20H22N2O2S MW 354.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22N2O2S/c1-3-23-17-10-9-14(11-18(17)24-4-2)13-22-20-16(12-21)15-7-5-6-8-19(15)25-20/h9-11,13H,3-8H2,1-2H3/b22-13+InChIKey
VBCCULYKMZZEGL-LPYMAVHISA-NSynonyms
353780-61-72(((E)(34diethoxyphenyl)methylidene)amino)4567tetrahydro1benzothiophene3carbonitrile
2((E)(34diethoxyphenyl)methylideneamino)4567tetrahydro1benzothiophene3carbonitrile
353780617
CCOC1=C(C=C(C=C1)C=NC2=C(C3=C(S2)CCCC3)C#N)OCC
CCOc1ccc(cc1OCC)C=Nc1sc2c(c1C#N)CCCC2
InChI=1SC20H22N2O2Sc13231710914(1118(17)2442)13222016(1221)15756819(15)2520h91113H38H212H3b2213+
MFCD00850373
ZINC000000993821
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